Trihydroxynaphthalene reductase: methods for three-dimensional structure determinations and rational inhibitor design

摘要

The present invention provides atomic coordinate/X-ray diffraction data defining the three-dimensional structure of a ternary complex of trihydroxynaphthalene reductase complexed with NADPH and a ligand that binds to trihydroxynaphthalene reductase or a subunit thereof. The present invention also provides methods for identifying other ligands that bind to trihydroxynaphthalene reductase. Such ligands may be useful as active-site inhibitors of trihydroxynaphthalene reductase activity, and thus may be used to diagnose or treat diseases of plants and animals caused by microorganisms that produce trihydroxynaphthalene reductase.